methyl (2S)-1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: methyl (2S)-1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]carbonylpyrrolidine-2-carboxylate Openeye Name: methyl (2S)-1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[oxo-[4-[[1-(2-pyridinylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]methyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (2S)-1-[4-[1-(pyridin-2-ylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[4-[1-(2-pyridylmethyl)piperidin-1-ium-4-yl]oxybenzoyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C24H30N3O4+ MolecularWeight: 424.5127

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

COC(=O)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)OC3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C24H29N3O4/c1-30-24(29)22-6-4-14-27(22)23(28)18-7-9-20(10-8-18)31-21-11-15-26(16-12-21)17-19-5-2-3-13-25-19/h2-3,5,7-10,13,21-22H,4,6,11-12,14-17H2,1H3/p+1/t22-/m0/s1